1-[4-[5-(4-tridecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[5-(4-tridecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[5-(4-tridecoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[5-(4-tridecoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-tridecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[5-(4-tridecoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C37H52N2O4 MolecularWeight: 588.81978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C37H52N2O4/c1-4-6-8-9-10-11-12-13-14-15-16-26-41-34-22-18-31(19-23-34)33-27-38-37(39-28-33)32-20-24-35(25-21-32)42-29-30(3)43-36(40)17-7-5-2/h18-25,27-28,30H,4-17,26,29H2,1-3H3